Home Nitriles 4-(2',6'-Dimethylphenoxy)phthalonitrile

4-(2',6'-Dimethylphenoxy)phthalonitrile

CAS No.:
221302-75-6
Catalog Number:
AG003JYR
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>99.0%(GC)
1 week
United States
$203
- +
5g
>99.0%(GC)
1 week
United States
$589
- +
Product Description
Catalog Number:
AG003JYR
Chemical Name:
4-(2',6'-Dimethylphenoxy)phthalonitrile
CAS Number:
221302-75-6
Molecular Formula:
C16H12N2O
Molecular Weight:
248.2793
MDL Number:
MFCD00059064
IUPAC Name:
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C16H12N2O/c1-11-4-3-5-12(2)16(11)19-15-7-6-13(9-17)14(8-15)10-18/h3-8H,1-2H3
InChI Key:
LJUVUOSWARAIBZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)Oc1c(C)cccc1C
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.285g/mol
Monoisotopic Mass:
248.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties